CID 51480

Naphthopyrin

Structural Information

Molecular Formula
C21H19N3O
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C21H19N3O/c1-15-20(21(25)24(23(15)2)19-10-4-3-5-11-19)22-18-13-12-16-8-6-7-9-17(16)14-18/h3-14,22H,1-2H3
InChIKey
JYIFZPNXQAAJAR-UHFFFAOYSA-N
Compound name
1,5-dimethyl-4-(naphthalen-2-ylamino)-2-phenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.1528 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.16008 178.8
[M+Na]+ 352.14202 189.9
[M-H]- 328.14552 188.3
[M+NH4]+ 347.18662 192.8
[M+K]+ 368.11596 182.4
[M+H-H2O]+ 312.15006 168.5
[M+HCOO]- 374.15100 202.6
[M+CH3COO]- 388.16665 190.8
[M+Na-2H]- 350.12747 183.4
[M]+ 329.15225 181.6
[M]- 329.15335 181.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.